! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
O    4.0525213781  -0.3931282128  -0.0320899290
O    0.3520172586   1.6389184964   0.1152768583
N   -0.5130136043  -0.4572483114  -0.0110710368
C    1.8503574659  -0.1872728001   0.0362580883
C    3.0363490530   0.4908795965  -0.0464882251
C    0.5147292919   0.4267788225   0.0507631077
C   -1.8911181889  -0.2164826770  -0.0063576887
C    2.1915087597  -1.5832772713   0.1067815784
C    3.4271566681   1.9125449496  -0.1568572269
C    3.5333773569  -1.6451565130   0.0626500034
C   -2.7141455716  -1.3434788821  -0.0919908099
C   -2.4821084055   1.0453225597   0.0762201545
C   -4.0915770194  -1.2171416384  -0.0966475796
C   -3.8670702619   1.1552650237   0.0705902411
C   -4.6818764310   0.0374868471  -0.0153735329
H    1.5348320821  -2.4344408634   0.1913694149
H   -0.2705058531  -1.4329619465  -0.0861230014
H    4.0154946240   2.0804139488  -1.0608510582
H    2.5577754789   2.5581419594  -0.1889351601
H    4.0441653095   2.2105393454   0.6928597355
H    4.2385185768  -2.4589700252   0.0912087712
H   -2.2692669440  -2.3296908866  -0.1564539889
H   -1.8872725300   1.9401110025   0.1433926293
H   -4.7039166710  -2.1065500155  -0.1643773339
H   -4.3071568502   2.1418748928   0.1349829865
H   -5.7585273175   0.1402369378  -0.0188192993
*